General Information of the Compound
| Compound ID |
CP0389447
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-4-[4-(4-phenylphenyl)triazol-1-yl]butan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29Cl2N5O
|
||||||||||||||||||
| Molecular Weight |
522.48
|
||||||||||||||||||
| Canonical SMILES |
OC(CCn1cc(nn1)-c1ccc(cc1)-c1ccccc1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29Cl2N5O/c29-25-7-4-8-27(28(25)30)34-17-15-33(16-18-34)19-24(36)13-14-35-20-26(31-32-35)23-11-9-22(10-12-23)21-5-2-1-3-6-21/h1-12,20,24,36H,13-19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RRBRCSSGXLKDPR-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor